N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide

C9H11BrN2O — CID 15179565

IUPACN-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C9H11BrN2O/c1-5-4-8(12-7(3)13)11-6(2)9(5)10/h4H,1-3H3,(H,11,12,13)
InChIKeyXMTKUIZOLSPHFN-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.42
Rot. Bonds1

About N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide

N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide (PubChem CID 15179565) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide
PubChem CID15179565
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C9H11BrN2O/c1-5-4-8(12-7(3)13)11-6(2)9(5)10/h4H,1-3H3,(H,11,12,13)
InChIKeyXMTKUIZOLSPHFN-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide?
The IUPAC name of N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide (CID 15179565) is N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide is CC(=O)Nc1cc(C)c(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide?
The InChIKey is XMTKUIZOLSPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-5-4-8(12-7(3)13)11-6(2)9(5)10/h4H,1-3H3,(H,11,12,13).
What are the key properties of N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide?
N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide has a molecular weight of 243.10 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4,6-dimethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 15179565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).